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24824-54-2 | Benzoic acid, 3,4-dimethoxy-, 1,1'-anhydride
CAS No: 24824-54-2 Catalog No: AG002PK8 MDL No:
Product Description
Catalog Number:
AG002PK8
Chemical Name:
Benzoic acid, 3,4-dimethoxy-, 1,1'-anhydride
CAS Number:
24824-54-2
Molecular Formula:
C18H18O7
Molecular Weight:
346.3313
IUPAC Name:
(3,4-dimethoxybenzoyl) 3,4-dimethoxybenzoate
InChI:
InChI=1S/C18H18O7/c1-21-13-7-5-11(9-15(13)23-3)17(19)25-18(20)12-6-8-14(22-2)16(10-12)24-4/h5-10H,1-4H3
InChI Key:
PJZFUQAHDYSNLZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)OC(=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.335g/mol
Monoisotopic Mass:
346.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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